N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C20H20N2OS — CID 57402730

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESN#Cc1c(NC(=O)C2CCc3ccccc3C2)sc2c1CCCC2
InChIInChI=1S/C20H20N2OS/c21-12-17-16-7-3-4-8-18(16)24-20(17)22-19(23)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,15H,3-4,7-11H2,(H,22,23)
InChIKeyGWODEMDREUGVCA-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.24
Rot. Bonds2

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 57402730) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID57402730
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESN#Cc1c(NC(=O)C2CCc3ccccc3C2)sc2c1CCCC2
InChIInChI=1S/C20H20N2OS/c21-12-17-16-7-3-4-8-18(16)24-20(17)22-19(23)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,15H,3-4,7-11H2,(H,22,23)
InChIKeyGWODEMDREUGVCA-UHFFFAOYSA-N
XLogP4.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

1-N,4-N-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclohexane-1,4-dicarboxamide
CID 2375460
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclopropanecarboxamide
CID 679001
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)cyclobutanecarboxamide
CID 17172917
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)cyclohexanecarboxamide
CID 847352
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclohexane-1-carboxamide
CID 61260760
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126694
(3R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 95568336
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
3-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)cyclopentane-1-carboxamide
CID 66009829
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]cyclopentanecarboxamide
CID 2222044

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 57402730) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is N#Cc1c(NC(=O)C2CCc3ccccc3C2)sc2c1CCCC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GWODEMDREUGVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c21-12-17-16-7-3-4-8-18(16)24-20(17)22-19(23)15-10-9-13-5-1-2-6-14(13)11-15/h1-2,5-6,15H,3-4,7-11H2,(H,22,23).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 57402730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).